CHEBI:176924 - 2-Aminovalienone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Aminovalienone
ChEBI ID CHEBI:176924
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H11NO4
Net Charge 0
Average Mass 173.168
Monoisotopic Mass 173.06881
InChI InChI=1S/C7H11NO4/c8-5-4(10)1-3(2-9)6(11)7(5)12/h1,5-7,9,11-12H,2,8H2/t5?,6-,7-/m1/s1
InChIKey MRRIQZMIKWLLBS-JXBXZBNISA-N
SMILES O[C@H]1[C@H](O)C(=CC(=O)C1N)CO
Metabolite of Species Details
Streptococcus mutans (NCBI:txid1309) Found in biofilm (BTO:0002690). of strain Streptococcus mutans UA159 [NCBI:txid210007] See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Aminovalienone (CHEBI:176924) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(4R,5R)-6-amino-4,5-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-one
Manual Xref Database
C21248 KEGG COMPOUND
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